(5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol

C13H11ClF2OS — CID 102764552

IUPAC(5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
SMILESCc1cc(C(O)c2cc(C)c(Cl)s2)c(F)cc1F
InChIInChI=1S/C13H11ClF2OS/c1-6-3-8(10(16)5-9(6)15)12(17)11-4-7(2)13(14)18-11/h3-5,12,17H,1-2H3
InChIKeyJFMLONHAESIWDJ-UHFFFAOYSA-N
MW288.75 g/mol
LogP4.38
Rot. Bonds2

About (5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol

(5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol (PubChem CID 102764552) has the molecular formula C13H11ClF2OS and a molecular weight of 288.75 g/mol. Its IUPAC name is (5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
PubChem CID102764552
Molecular FormulaC13H11ClF2OS
Molecular Weight288.75 g/mol
Exact Mass288.02
IUPAC Name(5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
SMILESCc1cc(C(O)c2cc(C)c(Cl)s2)c(F)cc1F
InChIInChI=1S/C13H11ClF2OS/c1-6-3-8(10(16)5-9(6)15)12(17)11-4-7(2)13(14)18-11/h3-5,12,17H,1-2H3
InChIKeyJFMLONHAESIWDJ-UHFFFAOYSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 79731095
(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 102764444
(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102834844
(2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107964322
(5-chloro-4-methylthiophen-2-yl)-(4-methylthiophen-3-yl)methanol
CID 102764416
(3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
CID 102764385
(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81105622
(2,4-difluoro-5-methylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 79731435
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292
(2,4-difluoro-5-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol
CID 81260584
(5-bromo-2-chlorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
CID 102764402
(3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 80641878

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
The IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol (CID 102764552) is (5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol.
What is the SMILES notation for (5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
The canonical SMILES for (5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol is Cc1cc(C(O)c2cc(C)c(Cl)s2)c(F)cc1F.
What is the InChIKey of (5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
The InChIKey is JFMLONHAESIWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2OS/c1-6-3-8(10(16)5-9(6)15)12(17)11-4-7(2)13(14)18-11/h3-5,12,17H,1-2H3.
What are the key properties of (5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol?
(5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol has a molecular weight of 288.75 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol is sourced from PubChem (CID 102764552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).